| SpectraBase Compound ID | 416WjBSIo42 |
|---|---|
| InChI | InChI=1S/3C22H31N3O3/c1-22(2,3)19(20(23)27)24-21(28)16-13-25(17-10-6-5-9-15(16)17)12-14-8-4-7-11-18(14)26;1-22(2,3)19(20(23)27)24-21(28)17-13-25(18-10-5-4-9-16(17)18)12-14-7-6-8-15(26)11-14;1-22(2,3)19(20(23)27)24-21(28)17-13-25(18-7-5-4-6-16(17)18)12-14-8-10-15(26)11-9-14/h5-6,9-10,13-14,18-19,26H,4,7-8,11-12H2,1-3H3,(H2,23,27)(H,24,28);4-5,9-10,13-15,19,26H,6-8,11-12H2,1-3H3,(H2,23,27)(H,24,28);4-7,13-15,19,26H,8-12H2,1-3H3,(H2,23,27)(H,24,28) |
| InChIKey | LQJJYVOHOGVSBV-UHFFFAOYSA-N |
| Mol Weight | 385.51 g/mol |
| Molecular Formula | C22H31N3O3 |
| Exact Mass | 385.236542 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | AWNwxTgEoN9 |
|---|---|
| Name | ADB-CHMICA-M (HO-) isomer-2 |
| Collision Gas | N2 |
| Comments | FTMS + p ESI d Full ms2 [email protected] [50.00-410.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C22H31N3O3 |
| Inlet Type | UHPLC |
| Instrument Name | Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity | P |
| Ionization Type | HESI |
| Precursor Ion | [M+H]+ |
| Sample Comments | The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Selected Ion Charge | 1 |
| Source of Spectrum | Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Spectrum Type | ms2 |
| Technique | HCD |